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1685-18-3 | 1-Pentanone, 1-(2-amino-5-chlorophenyl)-
CAS No: 1685-18-3 Catalog No: AG001Y4D MDL No:
Product Description
Catalog Number:
AG001Y4D
Chemical Name:
1-Pentanone, 1-(2-amino-5-chlorophenyl)-
CAS Number:
1685-18-3
Molecular Formula:
C11H14ClNO
Molecular Weight:
211.6880
IUPAC Name:
1-(2-amino-5-chlorophenyl)pentan-1-one
InChI:
InChI=1S/C11H14ClNO/c1-2-3-4-11(14)9-7-8(12)5-6-10(9)13/h5-7H,2-4,13H2,1H3
InChI Key:
OOLZPYIAYOACFI-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1cc(Cl)ccc1N
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.689g/mol
Monoisotopic Mass:
211.076g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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